N,N-diethyl-4-fluoro-3-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide

C19H24FN3O3S2 — CID 86957539

IUPACN,N-diethyl-4-fluoro-3-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)N2CCCCC2c2nccs2)c1
InChIInChI=1S/C19H24FN3O3S2/c1-3-22(4-2)28(25,26)14-8-9-16(20)15(13-14)19(24)23-11-6-5-7-17(23)18-21-10-12-27-18/h8-10,12-13,17H,3-7,11H2,1-2H3
InChIKeyIREGXDWLDKXNJF-UHFFFAOYSA-N
MW425.55 g/mol
LogP3.68
Rot. Bonds6

About N,N-diethyl-4-fluoro-3-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide

N,N-diethyl-4-fluoro-3-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide (PubChem CID 86957539) has the molecular formula C19H24FN3O3S2 and a molecular weight of 425.55 g/mol. Its IUPAC name is N,N-diethyl-4-fluoro-3-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-fluoro-3-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide
PubChem CID86957539
Molecular FormulaC19H24FN3O3S2
Molecular Weight425.55 g/mol
Exact Mass425.12
IUPAC NameN,N-diethyl-4-fluoro-3-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)N2CCCCC2c2nccs2)c1
InChIInChI=1S/C19H24FN3O3S2/c1-3-22(4-2)28(25,26)14-8-9-16(20)15(13-14)19(24)23-11-6-5-7-17(23)18-21-10-12-27-18/h8-10,12-13,17H,3-7,11H2,1-2H3
InChIKeyIREGXDWLDKXNJF-UHFFFAOYSA-N
XLogP3.68
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,N-diethyl-4-fluoro-3-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-fluoro-3-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide?
The IUPAC name of N,N-diethyl-4-fluoro-3-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide (CID 86957539) is N,N-diethyl-4-fluoro-3-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-4-fluoro-3-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for N,N-diethyl-4-fluoro-3-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)N2CCCCC2c2nccs2)c1.
What is the InChIKey of N,N-diethyl-4-fluoro-3-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide?
The InChIKey is IREGXDWLDKXNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O3S2/c1-3-22(4-2)28(25,26)14-8-9-16(20)15(13-14)19(24)23-11-6-5-7-17(23)18-21-10-12-27-18/h8-10,12-13,17H,3-7,11H2,1-2H3.
What are the key properties of N,N-diethyl-4-fluoro-3-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide?
N,N-diethyl-4-fluoro-3-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide has a molecular weight of 425.55 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-fluoro-3-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 86957539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).